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CAS 25519-78-2 4-(4-Fluorobenzoyl)piperidine hydrochloride molecular structure lightbox
CAS RN: 25519-78-2

4-(4-Fluorobenzoyl)piperidine hydrochloride

  • Product code: SSC-121569
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 10g, 5g, 25g
  • Available purity: ≥98%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 25519-78-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 2 In Stock Beijing Inquiry
10g ≥98% 1 In Stock Shenzhen Inquiry
5g ≥98% 0 Out of Stock Shanghai Inquiry
25g ≥98% 0 Out of Stock Shenzhen Inquiry

25519-78-2 / (4-fluorophenyl)-piperidin-1-ium-4-ylmethanone chloride

Standard CAS: 25519-78-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
25519-78-2
Multi CAS
No
Molecular Formula
C12H15ClFNO
Molecular Weight
243.700000
Exact Mass
243.082620
SMILES
C1C[NH2+]CCC1C(=O)C2=CC=C(C=C2)F.[Cl-]
InChI
InChI=1S/C12H14FNO.ClH/c13-11-3-1-9(2-4-11)12(15)10-5-7-14-8-6-10;/h1-4,10,14H,5-8H2;1H
InChIKey
GPKDBZQZPNOBGM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
55.11
TPSA
33.68

LogP / Solubility

WLOGP
-2.01
MLOGP
-1.77
XLogP3
-2.01
Consensus LogP
-1.93
Log S (ESOL)
-0.23
Class (ESOL)
Very soluble
Log S (Ali)
-0.1
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.19
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.64

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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